4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide

C19H17N3O2 — CID 2374073

IUPAC4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H17N3O2/c23-18-15-10-4-3-9-14(15)17(21-22-18)19(24)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10,16H,5,7,11H2,(H,20,24)(H,22,23)/t16-/m1/s1
InChIKeyGIORAQZWVXDTPS-MRXNPFEDSA-N
MW319.36 g/mol
LogP2.73
Rot. Bonds2

About 4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide

4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide (PubChem CID 2374073) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide
PubChem CID2374073
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H17N3O2/c23-18-15-10-4-3-9-14(15)17(21-22-18)19(24)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10,16H,5,7,11H2,(H,20,24)(H,22,23)/t16-/m1/s1
InChIKeyGIORAQZWVXDTPS-MRXNPFEDSA-N
XLogP2.73
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-phthalazine-1-carboxamide
CID 5094185
N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 154842859
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27856338
3-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2677362
3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2472792
N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95386223
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 99946586
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide
CID 45153833
N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide
CID 83202693
2-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 166390604

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide (CID 2374073) is 4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide is O=C(N[C@@H]1CCCc2ccccc21)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide?
The InChIKey is GIORAQZWVXDTPS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18-15-10-4-3-9-14(15)17(21-22-18)19(24)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10,16H,5,7,11H2,(H,20,24)(H,22,23)/t16-/m1/s1.
What are the key properties of 4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide?
4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 2374073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).